[(2R)-1-[[5-[3-(cyclopentyloxymethyl)phenyl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol

C26H32N2O2 — CID 86274705

IUPAC[(2R)-1-[[5-[3-(cyclopentyloxymethyl)phenyl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1Cc1cc2cc(-c3cccc(COC4CCCC4)c3)ccc2[nH]1
InChIInChI=1S/C26H32N2O2/c29-17-24-7-4-12-28(24)16-23-15-22-14-21(10-11-26(22)27-23)20-6-3-5-19(13-20)18-30-25-8-1-2-9-25/h3,5-6,10-11,13-15,24-25,27,29H,1-2,4,7-9,12,16-18H2/t24-/m1/s1
InChIKeyGCKSLJXLYRTNCV-XMMPIXPASA-N
MW404.55 g/mol
LogP5.25
Rot. Bonds7

About [(2R)-1-[[5-[3-(cyclopentyloxymethyl)phenyl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol

[(2R)-1-[[5-[3-(cyclopentyloxymethyl)phenyl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 86274705) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is [(2R)-1-[[5-[3-(cyclopentyloxymethyl)phenyl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[[5-[3-(cyclopentyloxymethyl)phenyl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID86274705
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name[(2R)-1-[[5-[3-(cyclopentyloxymethyl)phenyl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1Cc1cc2cc(-c3cccc(COC4CCCC4)c3)ccc2[nH]1
InChIInChI=1S/C26H32N2O2/c29-17-24-7-4-12-28(24)16-23-15-22-14-21(10-11-26(22)27-23)20-6-3-5-19(13-20)18-30-25-8-1-2-9-25/h3,5-6,10-11,13-15,24-25,27,29H,1-2,4,7-9,12,16-18H2/t24-/m1/s1
InChIKeyGCKSLJXLYRTNCV-XMMPIXPASA-N
XLogP5.25
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-[[5-[3-(cyclopentyloxymethyl)phenyl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

[(2R)-1-[[5-(3-cyclopentyloxyphenyl)-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 86272787
[(2R)-1-[[5-[4-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 144724621
5-[3-(cyclopentyloxymethyl)phenyl]-2-methyl-1H-indole;pyrrolidin-3-ol
CID 144724522
N-tert-butyl-5-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-indol-5-yl]-2-methoxypyridine-3-carboxamide
CID 86274461
N,2-dimethylpropan-2-amine;3-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-indol-5-yl]-5-methylbenzaldehyde;methanol
CID 144724446
2-[3-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-indol-5-yl]-5-methylphenyl]-4,4-dimethylcyclohex-2-en-1-one
CID 86272318
[(2S)-1-[[3-(1H-indazol-3-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 53360103
[1-[[5-(3-sulfanylphenyl)-1H-indol-2-yl]methyl]pyrrolidin-3-yl]methanol
CID 144724758
[1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407137
[(2S)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanol
CID 30979696
[(2R)-1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 70142040
[1-[[5-[3-(cyclohexen-1-yl)phenyl]-1-methylindol-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 144724677

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[5-[3-(cyclopentyloxymethyl)phenyl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[[5-[3-(cyclopentyloxymethyl)phenyl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol (CID 86274705) is [(2R)-1-[[5-[3-(cyclopentyloxymethyl)phenyl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[[5-[3-(cyclopentyloxymethyl)phenyl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[[5-[3-(cyclopentyloxymethyl)phenyl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1Cc1cc2cc(-c3cccc(COC4CCCC4)c3)ccc2[nH]1.
What is the InChIKey of [(2R)-1-[[5-[3-(cyclopentyloxymethyl)phenyl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is GCKSLJXLYRTNCV-XMMPIXPASA-N. The full InChI is InChI=1S/C26H32N2O2/c29-17-24-7-4-12-28(24)16-23-15-22-14-21(10-11-26(22)27-23)20-6-3-5-19(13-20)18-30-25-8-1-2-9-25/h3,5-6,10-11,13-15,24-25,27,29H,1-2,4,7-9,12,16-18H2/t24-/m1/s1.
What are the key properties of [(2R)-1-[[5-[3-(cyclopentyloxymethyl)phenyl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[[5-[3-(cyclopentyloxymethyl)phenyl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 404.55 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[5-[3-(cyclopentyloxymethyl)phenyl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 86274705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).